N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide

C18H17Cl2FN2O4 — CID 43004127

IUPACN'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O4/c1-10(26-14-6-4-13(21)5-7-14)17(24)22-23-18(25)11(2)27-16-8-3-12(19)9-15(16)20/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeySMUHEWSBRYHZRV-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.51
Rot. Bonds6

About N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide

N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 43004127) has the molecular formula C18H17Cl2FN2O4 and a molecular weight of 415.25 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID43004127
Molecular FormulaC18H17Cl2FN2O4
Molecular Weight415.25 g/mol
Exact Mass414.05
IUPAC NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O4/c1-10(26-14-6-4-13(21)5-7-14)17(24)22-23-18(25)11(2)27-16-8-3-12(19)9-15(16)20/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeySMUHEWSBRYHZRV-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N'-(4-fluorophenyl)propanehydrazide
CID 118727201
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 43004127) is N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is SMUHEWSBRYHZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O4/c1-10(26-14-6-4-13(21)5-7-14)17(24)22-23-18(25)11(2)27-16-8-3-12(19)9-15(16)20/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 415.25 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 43004127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).